5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide

C10H11FN4O2S — CID 60808292

IUPAC5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn[nH]c2N)c(F)c1
InChIInChI=1S/C10H11FN4O2S/c1-6-2-3-8(7(11)4-6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14)
InChIKeyVVOJOZXEHPGNII-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60808292) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60808292
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn[nH]c2N)c(F)c1
InChIInChI=1S/C10H11FN4O2S/c1-6-2-3-8(7(11)4-6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14)
InChIKeyVVOJOZXEHPGNII-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 71852055
N-[4-(2-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645339
N-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645372
N-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67645901
N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67646010
N-[4-(3-fluoro-4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 67646476
N-[2,4-difluoro-3-[(E)-3-methyl-4-[5-(methylideneamino)-1H-pyrazol-4-yl]but-3-en-1-ynyl]phenyl]-2,6-difluorobenzenesulfonamide
CID 138700309
3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide
CID 142775074
4-Tolyldiazenylpyrazole
CID 156024519
2,4-difluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 25037539
3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 25041480
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 45833297

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 60808292) is 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn[nH]c2N)c(F)c1.
What is the InChIKey of 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VVOJOZXEHPGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-2-3-8(7(11)4-6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60808292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).